2-[[2-[2-(4-phenethylsulfanylphenyl)propanoylamino]phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-[2-(4-phenethylsulfanylphenyl)propanoylamino]phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[2-(4-phenethylsulfanylphenyl)propanoylamino]phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[1-oxo-2-[4-(phenethylthio)phenyl]propyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-[2-(4-phenethylsulfanylphenyl)propanoylamino]phenyl]methyl]benzoic acid Traditional Name: 2-[2-[2-[4-(phenethylthio)phenyl]propanoylamino]benzyl]benzoic acid Formula: C31H29NO3S MolecularWeight: 495.63186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SCCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)SCCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H29NO3S/c1-22(24-15-17-27(18-16-24)36-20-19-23-9-3-2-4-10-23)30(33)32-29-14-8-6-12-26(29)21-25-11-5-7-13-28(25)31(34)35/h2-18,22H,19-21H2,1H3,(H,32,33)(H,34,35)